#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g74 n ALA 0 N 0.00 0.76 -1.54 5.20 0.00 -1.26 -4.88 120.51 118.79 3g74 n ALA 0 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3g74 n ALA 0 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 17.82 3g74 n ALA 0 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3g74 n SER 2 N 2.53 -0.73 -4.72 0.00 2.88 -1.26 -5.15 113.62 107.17 3g74 n SER 2 Ca 0.00 1.03 -0.41 0.00 -1.33 0.00 0.00 58.87 58.16 3g74 n SER 2 Cb 0.00 -1.79 -0.04 0.00 -0.75 0.00 0.00 64.21 61.63 3g74 n SER 2 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 3g74 s ASP 3 N -0.51 7.44 -0.20 -3.46 1.01 -0.34 -4.89 116.67 115.71 3g74 s ASP 3 Ca 0.00 1.79 -0.12 0.00 0.71 0.00 0.00 52.55 54.93 3g74 s ASP 3 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 3g74 s ASP 3 CO 0.00 -0.14 0.23 -0.89 0.21 0.00 0.00 175.17 174.58 3g74 s THR 4 N 0.28 5.33 -0.23 -1.27 2.01 -1.26 -1.14 115.64 119.35 3g74 s THR 4 Ca 0.49 0.36 -0.04 0.00 0.31 0.00 0.00 61.69 62.81 3g74 s THR 4 Cb -0.23 -3.56 -0.00 0.00 0.01 0.00 0.00 72.50 68.71 3g74 s THR 4 CO 0.30 0.36 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.34 3g74 s LEU 5 N 0.78 2.99 -0.16 4.42 2.96 0.07 -4.40 118.68 125.33 3g74 s LEU 5 Ca 0.12 -0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 53.51 3g74 s LEU 5 Cb -0.13 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 3g74 s LEU 5 CO 0.03 -0.04 0.07 -0.31 -1.32 0.00 0.00 176.35 174.78 3g74 s TYR 6 N 1.47 3.30 -0.12 5.38 2.02 0.91 -1.04 117.35 129.28 3g74 s TYR 6 Ca 0.05 0.17 0.02 0.00 -0.37 0.00 0.00 57.07 56.94 3g74 s TYR 6 Cb -0.15 -2.03 0.01 0.00 -0.40 0.00 0.00 41.96 39.39 3g74 s TYR 6 CO -0.03 0.28 -0.18 0.42 -1.57 0.00 0.00 175.55 174.47 3g74 s ILE 7 N 0.03 1.71 0.32 2.71 1.01 -0.76 -1.41 121.20 124.80 3g74 s ILE 7 Ca 0.06 -0.77 0.08 0.00 0.00 0.00 0.00 60.65 60.02 3g74 s ILE 7 Cb -0.12 -1.53 -0.06 0.00 0.01 0.00 0.00 42.46 40.76 3g74 s ILE 7 CO 0.01 0.48 -0.07 -0.75 0.00 0.00 0.00 174.94 174.61 3g74 s LYS 8 N 0.86 1.70 0.13 2.79 2.20 -0.45 0.26 119.74 127.23 3g74 s LYS 8 Ca -0.08 -1.88 0.10 0.00 -0.36 0.00 0.00 55.97 53.75 3g74 s LYS 8 Cb -0.15 -1.42 -0.04 0.00 -1.51 0.00 0.00 37.83 34.71 3g74 s LYS 8 CO -0.00 0.07 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.32 3g74 s ASP 10 N -3.54 3.62 0.11 1.43 1.01 -0.37 -0.55 116.67 118.38 3g74 s ASP 10 Ca 0.31 -0.66 -0.16 0.00 0.71 0.00 0.00 52.55 52.75 3g74 s ASP 10 Cb 0.04 -0.39 -0.05 0.00 1.01 0.00 0.00 42.92 43.53 3g74 s ASP 10 CO 0.14 0.17 1.54 -0.61 0.21 0.00 0.00 175.17 176.63 3g74 h GLN 11 N 3.76 0.61 -2.45 8.23 4.15 -1.89 -3.38 115.11 124.13 3g74 h GLN 11 Ca -0.50 -0.20 -0.09 0.00 0.77 0.00 0.00 58.65 58.63 3g74 h GLN 11 Cb 1.17 -0.05 -0.21 0.00 0.21 0.00 0.00 27.48 28.61 3g74 h GLN 11 CO 0.43 0.74 -0.04 0.00 -1.93 0.00 0.00 178.83 178.03 3g74 s ALA 12 N -4.95 -1.33 -0.08 3.38 0.00 -1.26 -1.45 121.76 116.07 3g74 s ALA 12 Ca -0.13 1.09 -0.05 0.00 0.00 0.00 0.00 51.96 52.87 3g74 s ALA 12 Cb 0.09 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.96 3g74 s ALA 12 CO 0.78 -0.30 0.21 0.14 0.00 0.00 0.00 175.76 176.58 3g74 s VAL 13 N -0.73 -0.03 -0.16 0.00 -7.23 -0.21 -4.95 120.40 107.09 3g74 s VAL 13 Ca -0.08 0.09 -0.17 0.00 -1.81 0.00 0.00 61.98 60.01 3g74 s VAL 13 Cb -0.03 -0.31 -0.04 0.00 0.56 0.00 0.00 36.38 36.56 3g74 s VAL 13 CO 0.05 0.04 0.43 -1.61 -0.31 0.00 0.00 175.10 173.70 3g74 s GLU 14 N 0.76 4.26 0.01 4.82 2.02 -1.26 -1.94 118.70 127.36 3g74 s GLU 14 Ca -0.05 0.31 0.02 0.00 0.02 0.00 0.00 54.97 55.27 3g74 s GLU 14 Cb -0.07 -3.48 -0.01 0.00 0.10 0.00 0.00 34.13 30.67 3g74 s GLU 14 CO -0.04 0.06 -0.08 0.96 0.02 0.00 0.00 175.26 176.18 3g74 s ILE 15 N 0.96 0.59 -1.02 -1.63 -0.00 -0.84 -5.00 121.20 114.26 3g74 s ILE 15 Ca 0.22 -0.48 -0.05 0.00 -0.00 0.00 0.00 60.65 60.34 3g74 s ILE 15 Cb -0.15 -0.53 0.27 0.00 -0.00 0.00 0.00 42.46 42.06 3g74 s ILE 15 CO 0.08 0.05 1.12 0.35 -0.00 0.00 0.00 174.94 176.55 3g74 n THR 16 N 2.59 4.27 -3.56 8.37 -2.24 -1.26 -2.87 114.28 119.58 3g74 n THR 16 Ca -0.15 -5.48 -0.12 0.00 -2.27 0.00 0.00 64.05 56.03 3g74 n THR 16 Cb 0.57 -2.35 -0.05 0.00 -2.10 0.00 0.00 70.33 66.40 3g74 n THR 16 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3g74 s LYS 17 N -1.86 0.71 0.11 -0.78 2.20 -1.26 -5.04 119.74 113.80 3g74 s LYS 17 Ca 0.31 0.18 -0.22 0.00 -0.36 0.00 0.00 55.97 55.88 3g74 s LYS 17 Cb -0.03 0.33 -0.10 0.00 -1.51 0.00 0.00 37.83 36.52 3g74 s LYS 17 CO -0.03 -0.22 1.74 0.87 -0.36 0.00 0.00 175.35 177.35 3g74 h LYS 18 N 2.69 0.04 -6.18 4.03 1.57 -1.97 -3.45 116.57 113.30 3g74 h LYS 18 Ca -0.20 -0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.98 3g74 h LYS 18 Cb 1.16 -0.01 -0.12 0.00 0.08 0.00 0.00 32.23 33.33 3g74 h LYS 18 CO 0.33 0.03 -0.71 1.14 -0.57 0.00 0.00 179.45 179.66 3g74 s GLN 19 N -6.19 1.90 -0.07 3.15 0.00 -1.26 -0.89 119.66 116.30 3g74 s GLN 19 Ca -0.13 -1.67 0.03 0.00 -0.00 0.00 0.00 55.36 53.59 3g74 s GLN 19 Cb 0.08 -1.89 0.01 0.00 0.00 0.00 0.00 33.01 31.20 3g74 s GLN 19 CO 0.67 0.32 -0.16 0.08 0.00 0.00 0.00 175.29 176.20 3g74 s VAL 20 N -2.46 1.37 0.32 3.63 1.01 0.42 -4.98 120.40 119.72 3g74 s VAL 20 Ca 0.31 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.73 3g74 s VAL 20 Cb -0.05 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 3g74 s VAL 20 CO 0.17 0.41 0.23 0.42 0.00 0.00 0.00 175.10 176.32 3g74 s THR 21 N 0.45 3.49 0.27 3.92 -4.23 -1.26 -0.12 115.64 118.15 3g74 s THR 21 Ca -0.13 -1.49 -0.01 0.00 -1.18 0.00 0.00 61.69 58.89 3g74 s THR 21 Cb -0.15 -3.14 0.25 0.00 1.34 0.00 0.00 72.50 70.80 3g74 s THR 21 CO 0.04 -0.21 1.77 0.58 -0.54 0.00 0.00 174.62 176.27 3g74 h VAL 22 N 1.39 0.75 -0.86 2.29 2.07 -1.76 -1.62 116.25 118.51 3g74 h VAL 22 Ca -0.45 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 66.87 3g74 h VAL 22 Cb 1.25 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 3g74 h VAL 22 CO 0.60 0.12 0.56 1.23 0.02 0.00 0.00 177.57 180.10 3g74 h GLY 23 N 0.67 1.24 -0.10 2.17 0.00 -0.57 0.14 103.07 106.61 3g74 h GLY 23 Ca 0.47 -0.43 0.25 0.00 0.00 0.00 0.00 47.33 47.62 3g74 h GLY 23 CO -0.35 0.37 0.64 -0.55 0.00 0.00 0.00 176.54 176.65 3g74 h ASP 24 N 1.09 0.56 0.00 0.19 3.32 -1.53 -3.22 116.42 116.82 3g74 h ASP 24 Ca 0.34 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.49 3g74 h ASP 24 Cb -0.01 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3g74 h ASP 24 CO -0.11 0.11 -0.91 0.55 -1.72 0.00 0.00 179.24 177.16 3g74 n VAL 25 N -4.73 0.00 -3.64 -1.35 3.14 0.36 -4.99 118.33 107.13 3g74 n VAL 25 Ca 0.26 -0.18 -0.15 0.00 -2.96 0.00 0.00 64.34 61.31 3g74 n VAL 25 Cb 0.80 0.84 -0.08 0.00 -1.06 0.00 0.00 33.84 34.34 3g74 n VAL 25 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3g74 s ALA 26 N -2.57 -1.51 0.26 1.55 0.00 -0.47 -1.23 121.76 117.79 3g74 s ALA 26 Ca 0.04 1.47 -0.21 0.00 0.00 0.00 0.00 51.96 53.26 3g74 s ALA 26 Cb 0.11 -0.61 -0.09 0.00 0.00 0.00 0.00 23.12 22.53 3g74 s ALA 26 CO 0.64 -0.31 0.78 0.15 0.00 0.00 0.00 175.76 177.02 3g74 s LYS 27 N -0.27 4.30 0.12 0.00 3.01 0.29 -4.47 119.74 122.72 3g74 s LYS 27 Ca -0.05 0.96 0.08 0.00 -1.01 0.00 0.00 55.97 55.95 3g74 s LYS 27 Cb -0.03 -2.78 -0.04 0.00 -1.01 0.00 0.00 37.83 33.97 3g74 s LYS 27 CO 0.04 0.32 -0.18 -0.51 0.51 0.00 0.00 175.35 175.53 3g74 s LEU 28 N -2.16 2.36 -0.13 3.17 1.43 -1.26 -1.34 118.68 120.75 3g74 s LEU 28 Ca 0.47 -0.76 -0.09 0.00 -1.03 0.00 0.00 54.13 52.72 3g74 s LEU 28 Cb -0.16 -0.77 0.04 0.00 0.03 0.00 0.00 46.19 45.33 3g74 s LEU 28 CO 0.21 -0.02 0.32 -1.58 0.23 0.00 0.00 176.35 175.51 3g74 s GLN 29 N -2.31 0.33 -0.28 1.70 2.00 -0.50 -4.99 119.66 115.61 3g74 s GLN 29 Ca 0.09 0.57 -0.24 0.00 -2.00 0.00 0.00 55.36 53.78 3g74 s GLN 29 Cb -0.08 0.03 0.09 0.00 0.80 0.00 0.00 33.01 33.86 3g74 s GLN 29 CO 0.05 -0.11 0.84 0.00 -0.50 0.00 0.00 175.29 175.57 3g74 h LYS 31 N 4.91 0.70 -6.14 0.00 1.57 -1.99 -3.34 116.57 112.28 3g74 h LYS 31 Ca -0.29 -0.04 -0.53 0.00 -1.87 0.00 0.00 60.65 57.92 3g74 h LYS 31 Cb 1.17 -0.16 -0.08 0.00 0.08 0.00 0.00 32.23 33.24 3g74 h LYS 31 CO 0.09 0.47 1.24 1.21 -0.57 0.00 0.00 179.45 181.88 3g74 s ASN 32 N -5.67 6.10 0.63 0.86 3.84 -1.26 -4.83 114.94 114.60 3g74 s ASN 32 Ca -0.13 -0.83 0.35 0.00 0.21 0.00 0.00 52.86 52.46 3g74 s ASN 32 Cb 0.13 -2.56 1.99 0.00 -0.55 0.00 0.00 41.25 40.26 3g74 s ASN 32 CO 0.75 -1.86 2.21 0.11 -2.79 0.00 0.00 177.10 175.52 3g74 h LYS 33 N 10.57 0.00 -0.38 0.43 6.56 -2.02 -2.28 116.57 129.46 3g74 h LYS 33 Ca -0.02 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.48 3g74 h LYS 33 Cb 1.04 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.68 3g74 h LYS 33 CO 1.33 0.00 -0.12 -0.91 -2.06 0.00 0.00 179.45 177.69 3g74 h ASN 34 N 0.00 0.66 -0.09 0.86 2.35 -1.93 0.10 115.58 117.54 3g74 h ASN 34 Ca 0.02 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.52 3g74 h ASN 34 Cb 0.23 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3g74 h ASN 34 CO -0.00 0.81 -0.17 0.40 -1.65 0.00 0.00 177.43 176.82 3g74 h ILE 35 N 0.61 1.40 -0.21 2.81 2.04 -1.82 -0.93 117.51 121.41 3g74 h ILE 35 Ca 0.11 -1.46 -0.15 0.00 1.00 0.00 0.00 64.86 64.36 3g74 h ILE 35 Cb 0.57 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 3g74 h ILE 35 CO 0.04 0.41 -0.50 0.71 0.00 0.00 0.00 178.15 178.81 3g74 h THR 36 N -0.18 1.31 -0.86 -0.27 1.35 -1.62 -0.34 112.91 112.30 3g74 h THR 36 Ca 0.00 -1.72 0.11 0.00 -0.55 0.00 0.00 66.41 64.25 3g74 h THR 36 Cb 0.75 1.70 -0.08 0.00 -1.73 0.00 0.00 68.15 68.79 3g74 h THR 36 CO 0.04 0.54 0.49 0.78 -0.25 0.00 0.00 175.52 177.12 3g74 h ASN 37 N 0.45 0.69 0.03 5.36 2.35 -0.72 -1.85 115.58 121.89 3g74 h ASN 37 Ca 0.02 0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 3g74 h ASN 37 Cb 1.03 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 39.34 3g74 h ASN 37 CO 0.10 0.37 -0.29 -0.09 -1.65 0.00 0.00 177.43 175.86 3g74 h ARG 38 N 0.79 0.14 -0.84 0.81 2.43 -0.89 -3.36 114.38 113.46 3g74 h ARG 38 Ca 0.43 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 3g74 h ARG 38 Cb 0.45 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.03 3g74 h ARG 38 CO -0.28 1.03 0.46 1.25 -1.51 0.00 0.00 179.97 180.92 3g74 h LEU 39 N -0.65 1.05 -1.94 3.80 5.85 -1.11 -3.04 115.31 119.26 3g74 h LEU 39 Ca -0.05 -0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.70 3g74 h LEU 39 Cb 1.16 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3g74 h LEU 39 CO 0.06 0.84 0.34 0.50 -0.34 0.00 0.00 178.44 179.84 3g74 h LYS 40 N 1.16 0.06 -3.44 1.25 3.64 -1.47 -3.40 116.57 114.38 3g74 h LYS 40 Ca 0.29 -0.00 -0.79 0.00 -1.27 0.00 0.00 60.65 58.88 3g74 h LYS 40 Cb 0.03 -0.01 -0.25 0.00 -0.41 0.00 0.00 32.23 31.59 3g74 h LYS 40 CO -0.05 0.04 0.92 0.43 -2.27 0.00 0.00 179.45 178.52 3g74 n SER 41 N -4.41 5.79 -4.58 4.20 7.64 -1.15 0.08 113.62 121.18 3g74 n SER 41 Ca 0.08 -3.19 -0.32 0.00 1.01 0.00 0.00 58.87 56.45 3g74 n SER 41 Cb 0.51 -1.37 -0.11 0.00 -1.01 0.00 0.00 64.21 62.23 3g74 n SER 41 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3g74 s LYS 43 N -1.32 2.56 0.00 1.43 1.02 -1.26 -4.72 119.74 117.45 3g74 s LYS 43 Ca 0.34 -0.71 0.00 0.00 0.02 0.00 0.00 55.97 55.62 3g74 s LYS 43 Cb -0.00 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 3g74 s LYS 43 CO 0.02 0.61 0.00 -0.11 -0.92 0.00 0.00 175.35 174.95 3g74 n LEU 44 N 1.66 0.24 -3.64 3.17 7.94 0.83 -4.85 117.00 122.35 3g74 n LEU 44 Ca -0.16 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.72 3g74 n LEU 44 Cb 0.53 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.42 3g74 n LEU 44 CO 0.30 0.04 1.16 -0.22 -1.11 0.00 0.00 177.39 177.55 3g74 s LEU 45 N -3.74 -0.05 0.14 -1.96 2.96 -1.19 -4.99 118.68 109.84 3g74 s LEU 45 Ca 0.00 0.07 0.03 0.00 -0.22 0.00 0.00 54.13 54.01 3g74 s LEU 45 Cb 0.00 1.10 -0.04 0.00 0.50 0.00 0.00 46.19 47.75 3g74 s LEU 45 CO 0.00 -0.03 -0.06 -1.83 -1.32 0.00 0.00 176.35 173.12 3g74 s GLU 46 N -0.50 0.99 -1.40 1.98 -1.05 -1.26 -0.43 118.70 117.02 3g74 s GLU 46 Ca 0.08 -1.43 -0.10 0.00 -0.15 0.00 0.00 54.97 53.37 3g74 s GLU 46 Cb -0.03 -0.35 -0.07 0.00 -0.44 0.00 0.00 34.13 33.24 3g74 s GLU 46 CO -0.12 -0.03 2.62 -3.47 0.95 0.00 0.00 175.26 175.22 3g74 n ASP 47 N -0.15 6.93 0.51 0.83 2.03 -0.07 -4.66 116.55 121.97 3g74 n ASP 47 Ca -0.10 -2.55 -0.20 0.00 0.52 0.00 0.00 54.79 52.46 3g74 n ASP 47 Cb 0.61 -1.44 -0.10 0.00 -0.72 0.00 0.00 41.12 39.48 3g74 n ASP 47 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3g74 h THR 48 N 3.31 0.00 -3.57 5.18 2.02 -1.92 -3.38 112.91 114.55 3g74 h THR 48 Ca 0.73 0.00 -0.59 0.00 0.77 0.00 0.00 66.41 67.32 3g74 h THR 48 Cb 0.32 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.64 3g74 h THR 48 CO 1.73 0.00 0.69 -0.89 0.37 0.00 0.00 175.52 177.42 3g74 s THR 49 N -5.91 4.47 -0.13 3.16 2.01 -1.26 -4.90 115.64 113.09 3g74 s THR 49 Ca -0.19 1.13 0.30 0.00 0.31 0.00 0.00 61.69 63.23 3g74 s THR 49 Cb 0.02 -4.43 0.35 0.00 0.01 0.00 0.00 72.50 68.46 3g74 s THR 49 CO 0.59 -0.71 1.87 0.11 -0.69 0.00 0.00 174.62 175.78 3g74 h LYS 50 N 8.76 0.00 -0.97 4.92 1.79 -2.00 -2.92 116.57 126.16 3g74 h LYS 50 Ca -0.23 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.17 3g74 h LYS 50 Cb 1.07 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.68 3g74 h LYS 50 CO 1.03 0.00 0.08 0.41 -1.08 0.00 0.00 179.45 179.89 3g74 n GLY 51 N 0.24 2.25 3.62 3.86 0.00 -1.26 -4.84 105.19 109.06 3g74 n GLY 51 Ca 0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 3g74 n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3g74 s LYS 52 N -0.90 0.57 -0.16 1.61 2.20 -1.10 -5.08 119.74 116.88 3g74 s LYS 52 Ca 0.11 1.10 0.14 0.00 -0.36 0.00 0.00 55.97 56.96 3g74 s LYS 52 Cb 0.09 0.30 -0.19 0.00 -1.51 0.00 0.00 37.83 36.52 3g74 s LYS 52 CO 0.03 -0.14 0.04 1.17 -0.36 0.00 0.00 175.35 176.09 3g74 n LYS 53 N 4.46 1.35 -4.29 4.03 4.81 -1.26 -4.76 118.16 122.50 3g74 n LYS 53 Ca -0.17 -0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 56.93 3g74 n LYS 53 Cb 0.56 -1.41 -0.15 0.00 0.02 0.00 0.00 35.03 34.06 3g74 n LYS 53 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3g74 s ARG 54 N -2.39 3.28 0.38 1.64 0.52 -1.26 -1.57 118.95 119.55 3g74 s ARG 54 Ca -0.09 -0.70 0.05 0.00 -0.52 0.00 0.00 55.73 54.47 3g74 s ARG 54 Cb 0.05 -2.76 -0.07 0.00 0.52 0.00 0.00 34.95 32.69 3g74 s ARG 54 CO 0.64 -0.05 0.04 0.71 0.02 0.00 0.00 175.30 176.66 3g74 s TYR 55 N 1.02 2.19 0.00 -0.53 2.02 0.11 -4.97 117.35 117.20 3g74 s TYR 55 Ca -0.01 -0.85 0.01 0.00 -0.37 0.00 0.00 57.07 55.85 3g74 s TYR 55 Cb -0.15 -1.52 -0.01 0.00 -0.40 0.00 0.00 41.96 39.89 3g74 s TYR 55 CO -0.02 0.20 -0.03 -1.50 -1.57 0.00 0.00 175.55 172.63 3g74 s ILE 56 N -3.00 0.25 -0.09 2.71 2.07 -1.26 0.18 121.20 122.05 3g74 s ILE 56 Ca 0.33 -0.27 0.02 0.00 -1.41 0.00 0.00 60.65 59.32 3g74 s ILE 56 Cb 0.08 -0.24 0.01 0.00 0.13 0.00 0.00 42.46 42.45 3g74 s ILE 56 CO 0.16 -0.02 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.33 3g74 s VAL 57 N -0.29 1.44 0.47 4.00 1.01 -0.10 -4.97 120.40 121.96 3g74 s VAL 57 Ca -0.01 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 3g74 s VAL 57 Cb -0.03 -1.31 -0.08 0.00 0.00 0.00 0.00 36.38 34.97 3g74 s VAL 57 CO -0.00 0.43 0.91 -0.55 0.00 0.00 0.00 175.10 175.89 3g74 s SER 58 N 0.83 6.62 0.00 3.32 0.15 -1.26 -0.43 113.70 122.92 3g74 s SER 58 Ca -0.10 1.44 -0.02 0.00 0.70 0.00 0.00 55.95 57.97 3g74 s SER 58 Cb -0.15 -2.45 -0.07 0.00 -1.71 0.00 0.00 66.02 61.63 3g74 s SER 58 CO 0.01 -0.51 1.37 0.00 1.20 0.00 0.00 173.24 175.31 3g74 n ILE 59 N -1.40 0.94 0.00 6.45 0.13 0.26 -3.81 119.36 121.93 3g74 n ILE 59 Ca 0.05 -0.43 0.00 0.00 -1.10 0.00 0.00 62.75 61.27 3g74 n ILE 59 Cb 0.54 -1.56 0.00 0.00 -0.84 0.00 0.00 39.64 37.78 3g74 n ILE 59 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 3g74 n LYS 61 N 2.61 0.00 0.03 9.51 4.81 -1.26 -0.73 118.16 133.14 3g74 n LYS 61 Ca 0.11 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.43 3g74 n LYS 61 Cb 0.28 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.26 3g74 n LYS 61 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 3g74 h ILE 62 N 0.00 1.03 -0.70 3.15 2.04 -1.99 -2.55 117.51 118.49 3g74 h ILE 62 Ca 0.00 -0.08 0.15 0.00 1.00 0.00 0.00 64.86 65.94 3g74 h ILE 62 Cb 0.00 1.05 -0.11 0.00 -0.74 0.00 0.00 36.82 37.02 3g74 h ILE 62 CO 0.00 0.02 0.07 0.40 0.00 0.00 0.00 178.15 178.64 3g74 h ILE 63 N -0.01 0.45 0.00 -0.67 2.04 -1.26 -0.42 117.51 117.64 3g74 h ILE 63 Ca 0.01 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3g74 h ILE 63 Cb 0.03 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 3g74 h ILE 63 CO -0.00 0.03 0.00 1.21 0.00 0.00 0.00 178.15 179.39 3g74 n GLU 64 N -5.26 0.36 0.00 2.37 2.13 -0.96 -1.18 120.64 118.10 3g74 n GLU 64 Ca 0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.94 3g74 n GLU 64 Cb 0.43 -1.29 0.00 0.00 0.27 0.00 0.00 31.44 30.84 3g74 n GLU 64 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3g74 n ALA 66 N 0.73 0.00 0.07 4.31 0.00 -0.17 -1.20 120.51 124.25 3g74 n ALA 66 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 3g74 n ALA 66 Cb 0.16 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.30 3g74 n ALA 66 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3g74 h ASP 67 N 0.00 0.00 0.78 0.00 5.19 -1.39 -0.79 116.42 120.21 3g74 h ASP 67 Ca 0.00 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.16 3g74 h ASP 67 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 3g74 h ASP 67 CO 0.00 0.00 -1.28 -0.61 -3.12 0.00 0.00 179.24 174.23 3g74 h GLN 68 N 0.00 0.03 0.00 3.56 4.15 -1.41 -3.38 115.11 118.07 3g74 h GLN 68 Ca 0.18 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3g74 h GLN 68 Cb 0.74 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.45 3g74 h GLN 68 CO -0.00 0.87 -1.77 0.25 -1.93 0.00 0.00 178.83 176.25 3g74 n THR 69 N -3.27 0.11 -4.61 2.39 -2.24 -0.65 -4.96 114.28 101.04 3g74 n THR 69 Ca -0.07 -0.48 -0.30 0.00 -2.27 0.00 0.00 64.05 60.93 3g74 n THR 69 Cb 0.99 -0.01 -0.13 0.00 -2.10 0.00 0.00 70.33 69.08 3g74 n THR 69 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3g74 s PHE 70 N -3.46 2.41 0.26 4.78 0.08 -0.40 -5.10 117.98 116.55 3g74 s PHE 70 Ca -0.06 -0.34 0.07 0.00 0.12 0.00 0.00 56.93 56.72 3g74 s PHE 70 Cb 0.13 -1.36 -0.03 0.00 -0.57 0.00 0.00 43.02 41.19 3g74 s PHE 70 CO 0.89 0.25 0.21 -0.65 -0.10 0.00 0.00 175.22 175.82 3g74 s GLN 71 N -1.65 2.91 -1.42 0.44 -0.21 -1.26 -4.68 119.66 113.78 3g74 s GLN 71 Ca 0.14 -1.08 -0.10 0.00 0.02 0.00 0.00 55.36 54.35 3g74 s GLN 71 Cb -0.10 -2.56 0.04 0.00 1.00 0.00 0.00 33.01 31.39 3g74 s GLN 71 CO 0.05 0.37 1.03 0.09 -2.12 0.00 0.00 175.29 174.71 3g74 n ASN 72 N -1.20 -4.81 -3.99 5.90 4.13 -1.26 -4.91 115.26 109.12 3g74 n ASN 72 Ca -0.07 -0.68 -0.27 0.00 1.68 0.00 0.00 54.58 55.23 3g74 n ASN 72 Cb 0.58 -4.41 -0.17 0.00 -1.54 0.00 0.00 39.78 34.24 3g74 n ASN 72 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3g74 s VAL 73 N -3.35 1.27 0.14 2.41 1.01 -1.26 -1.20 120.40 119.41 3g74 s VAL 73 Ca 0.52 -0.49 -0.15 0.00 0.00 0.00 0.00 61.98 61.86 3g74 s VAL 73 Cb -0.25 -1.20 -0.07 0.00 0.00 0.00 0.00 36.38 34.86 3g74 s VAL 73 CO 0.78 0.40 0.55 -1.81 0.00 0.00 0.00 175.10 175.03 3g74 s ASP 74 N 1.22 6.85 -0.11 3.32 -0.00 -0.30 -4.97 116.67 122.68 3g74 s ASP 74 Ca -0.03 1.10 0.00 0.00 -0.00 0.00 0.00 52.55 53.62 3g74 s ASP 74 Cb -0.14 -2.30 -0.02 0.00 -0.00 0.00 0.00 42.92 40.46 3g74 s ASP 74 CO -0.04 0.12 -0.12 -0.63 -0.00 0.00 0.00 175.17 174.51 3g74 s ILE 75 N -1.42 3.19 -0.25 0.77 1.01 -1.26 -0.76 121.20 122.48 3g74 s ILE 75 Ca 0.37 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.41 3g74 s ILE 75 Cb -0.15 -2.32 0.06 0.00 0.01 0.00 0.00 42.46 40.05 3g74 s ILE 75 CO 0.19 0.54 -0.10 -1.58 0.00 0.00 0.00 174.94 173.99 3g74 s GLN 76 N 0.03 2.15 0.20 2.79 2.00 -0.20 -4.97 119.66 121.66 3g74 s GLN 76 Ca -0.04 -1.26 -0.30 0.00 -2.00 0.00 0.00 55.36 51.76 3g74 s GLN 76 Cb -0.14 -2.82 -0.08 0.00 0.80 0.00 0.00 33.01 30.77 3g74 s GLN 76 CO 0.04 -0.56 1.08 1.21 -0.50 0.00 0.00 175.29 176.56 3g74 s ASN 77 N 1.16 7.31 0.00 6.67 3.04 -1.26 -1.83 114.94 130.03 3g74 s ASN 77 Ca -0.08 2.09 0.00 0.00 0.04 0.00 0.00 52.86 54.92 3g74 s ASN 77 Cb -0.20 -2.61 0.00 0.00 -1.54 0.00 0.00 41.25 36.91 3g74 s ASN 77 CO -0.06 -0.17 0.00 -0.38 -3.04 0.00 0.00 177.10 173.46 3g74 n ILE 78 N 2.12 0.00 -0.18 -5.21 2.08 0.14 -4.90 119.36 113.41 3g74 n ILE 78 Ca 0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.33 3g74 n ILE 78 Cb 0.46 -0.57 0.00 0.00 -0.75 0.00 0.00 39.64 38.78 3g74 n ILE 78 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3g74 n GLY 79 N 2.83 1.85 3.68 7.39 0.00 -1.11 -4.94 105.19 114.90 3g74 n GLY 79 Ca 0.00 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 3g74 n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g74 s GLU 80 N 4.55 0.23 -0.01 1.61 0.41 -1.26 -5.00 118.70 119.22 3g74 s GLU 80 Ca 0.00 0.35 0.11 0.00 -0.41 0.00 0.00 54.97 55.02 3g74 s GLU 80 Cb 0.00 -1.73 -0.16 0.00 -1.78 0.00 0.00 34.13 30.47 3g74 s GLU 80 CO 0.00 -2.83 0.33 0.25 -0.49 0.00 0.00 175.26 172.51 3g74 n THR 81 N -4.22 0.00 -4.31 3.63 -2.24 -1.26 -4.77 114.28 101.12 3g74 n THR 81 Ca 0.07 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.41 3g74 n THR 81 Cb 0.58 0.51 -0.15 0.00 -2.10 0.00 0.00 70.33 69.17 3g74 n THR 81 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3g74 s GLU 82 N -2.52 0.75 -0.13 -0.78 0.41 -1.26 0.91 118.70 116.07 3g74 s GLU 82 Ca -0.01 -0.26 0.02 0.00 -0.41 0.00 0.00 54.97 54.31 3g74 s GLU 82 Cb 0.08 -0.72 0.01 0.00 -1.78 0.00 0.00 34.13 31.72 3g74 s GLU 82 CO 0.46 0.12 -0.19 0.00 -0.49 0.00 0.00 175.26 175.16 3g74 s VAL 84 N 0.88 4.72 -0.16 0.00 1.01 -0.53 -0.92 120.40 125.40 3g74 s VAL 84 Ca -0.07 2.02 -0.02 0.00 0.00 0.00 0.00 61.98 63.91 3g74 s VAL 84 Cb -0.15 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.91 3g74 s VAL 84 CO -0.02 -0.12 -0.10 -0.69 0.00 0.00 0.00 175.10 174.18 3g74 s VAL 85 N 2.81 3.24 -0.04 2.92 1.01 0.13 -1.04 120.40 129.42 3g74 s VAL 85 Ca 0.45 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.92 3g74 s VAL 85 Cb -0.16 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 3g74 s VAL 85 CO 0.10 0.50 -0.24 -1.83 0.00 0.00 0.00 175.10 173.63 3g74 s GLU 86 N 0.65 2.28 0.40 2.72 4.04 -0.82 0.08 118.70 128.05 3g74 s GLU 86 Ca -0.05 -0.85 -0.02 0.00 0.04 0.00 0.00 54.97 54.08 3g74 s GLU 86 Cb -0.15 -2.00 -0.04 0.00 0.02 0.00 0.00 34.13 31.96 3g74 s GLU 86 CO 0.02 0.40 0.65 -0.06 -1.84 0.00 0.00 175.26 174.44 3g74 s PHE 87 N -0.25 3.53 0.00 4.83 0.08 -0.61 -1.98 117.98 123.57 3g74 s PHE 87 Ca 0.00 0.57 0.00 0.00 0.12 0.00 0.00 56.93 57.62 3g74 s PHE 87 Cb -0.12 -2.08 0.00 0.00 -0.57 0.00 0.00 43.02 40.24 3g74 s PHE 87 CO 0.02 -0.04 0.00 0.36 -0.10 0.00 0.00 175.22 175.46 3g74 n LYS 88 N -1.92 -2.34 -3.28 0.44 2.85 -1.14 -4.90 118.16 107.86 3g74 n LYS 88 Ca -0.02 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.16 3g74 n LYS 88 Cb 0.56 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.89 3g74 n LYS 88 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 3g74 s THR 89 N -2.00 -0.68 -2.00 0.58 -4.23 -1.26 -4.04 115.64 102.02 3g74 s THR 89 Ca 0.00 -0.31 0.05 0.00 -1.18 0.00 0.00 61.69 60.25 3g74 s THR 89 Cb 0.00 -0.89 0.13 0.00 1.34 0.00 0.00 72.50 73.09 3g74 s THR 89 CO 0.00 -0.26 0.75 -2.65 -0.54 0.00 0.00 174.62 171.92